SIMILAR PATTERNS OF AMINO ACIDS FOR 4OBW_B_SAMB601

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c1d L-PHENYLALANINE
DEHYDROGENASE

(Rhodococcus sp.) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASN A 262
ALA A  38
GLY A  76
GLY A  77
PHE A 137
 PHE  A 361 ( 3.1A)
PHE  A 361 ( 4.2A)
None
None
None
 1.03A 4obwB-1c1dA:
6.0		 4obwB-1c1dA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		5 ALA A  99
GLY A  98
GLY A  97
ILE A 103
ASN A  56
 None
 1.06A 4obwB-1ghsA:
undetectable		 4obwB-1ghsA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i4g ENTEROTOXIN TYPE A

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 GLY A  98
GLY A  99
ASN A  65
GLY A  93
ASN A 102
 None
 1.06A 4obwB-1i4gA:
undetectable		 4obwB-1i4gA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		no annotation 5 GLY B 313
GLY B 312
GLY B  46
ASN B  18
PHE B  43
 None
 0.89A 4obwB-1jmzB:
undetectable		 4obwB-1jmzB:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1leh LEUCINE
DEHYDROGENASE

(Lysinibacillus
sphaericus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ASN A  69
GLY A 290
GLY A 289
GLY A 144
PHE A 140
 None
 1.03A 4obwB-1lehA:
4.8		 4obwB-1lehA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ALA A 146
GLY A 145
ASP A  65
ILE A 120
GLY A 122
 ANP  A 901 (-3.3A)
ANP  A 901 (-3.5A)
None
ANP  A 901 (-3.8A)
None
 0.90A 4obwB-1pvgA:
undetectable		 4obwB-1pvgA:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tye INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 ASN B 269
ALA B 225
GLY B 222
GLY B 221
GLY B 154
 None
 0.98A 4obwB-1tyeB:
2.3		 4obwB-1tyeB:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  12
GLY A  13
GLY A  16
ILE A  34
PHE A 122
 None
FAD  A 493 (-3.2A)
None
FAD  A 493 ( 4.8A)
None
 1.00A 4obwB-1typA:
undetectable		 4obwB-1typA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 214
ALA A 172
GLY A 171
ASN A 217
GLY A 174
 None
None
None
NAP  A1350 (-3.9A)
NAP  A1350 (-3.2A)
 0.89A 4obwB-1v3tA:
6.4		 4obwB-1v3tA:
24.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		5 ALA A 247
GLY A 248
ASP A  15
ASN A 210
GLY A 309
 None
 1.04A 4obwB-2exhA:
undetectable		 4obwB-2exhA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 ALA A 274
GLY A 275
GLY A 277
ASP A 279
ASN A 349
 None
 1.02A 4obwB-2ftwA:
undetectable		 4obwB-2ftwA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TYR A 315
GLY A 180
GLY A 181
ILE A 187
GLY A 201
 None
 0.99A 4obwB-2h6eA:
7.0		 4obwB-2h6eA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmo DETHIOBIOTIN
SYNTHETASE

(Helicobacter
pylori) 		PF13500
(AAA_26) 		5 ALA A 118
GLY A 119
GLY A 120
ILE A 125
ASN A 130
 None
 1.08A 4obwB-2qmoA:
undetectable		 4obwB-2qmoA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x56 COAGULASE/FIBRINOLYS
IN

(Yersinia pestis) 		PF01278
(Omptin) 		5 ASN A 115
GLY A  55
GLY A  71
GLY A 287
PHE A 242
 None
C8E  A1296 (-3.5A)
C8E  A1296 (-4.0A)
C8E  A1300 ( 4.3A)
None
 0.89A 4obwB-2x56A:
undetectable		 4obwB-2x56A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 591
GLY A 593
ASP A 644
ILE A 545
GLY A 548
 None
 1.05A 4obwB-2xf2A:
3.5		 4obwB-2xf2A:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 214
ALA A 172
GLY A 171
ASN A 217
GLY A 174
 None
None
None
NAP  A 701 (-3.8A)
NAP  A 701 (-3.3A)
 1.02A 4obwB-2y05A:
7.7		 4obwB-2y05A:
25.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 ALA A 511
GLY A 513
GLY A 514
ASP A 483
GLY A 626
 None
 0.96A 4obwB-3azqA:
2.1		 4obwB-3azqA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clk TRANSCRIPTION
REGULATOR

(Lactobacillus
plantarum) 		PF13377
(Peripla_BP_3) 		6 ALA A 184
GLY A 185
GLY A 219
ILE A 216
GLY A 182
PHE A 233
 None
 1.24A 4obwB-3clkA:
3.1		 4obwB-3clkA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 ASN A 216
ALA A 185
GLY A 184
GLY A 474
PHE A 473
 None
 1.03A 4obwB-3d3aA:
undetectable		 4obwB-3d3aA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ALA A 128
GLY A 127
GLY A 126
ILE A 132
GLY A 101
 None
 0.89A 4obwB-3dooA:
undetectable		 4obwB-3dooA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 5 ALA O 112
ASP O 106
ILE O  87
GLY O 116
ASN O  83
 None
 0.96A 4obwB-3e6aO:
4.0		 4obwB-3e6aO:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF00480
(ROK) 		5 ALA A 522
GLY A 549
GLY A 548
ILE A 666
GLY A 531
 None
 1.07A 4obwB-3eo3A:
undetectable		 4obwB-3eo3A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 ALA B  24
GLY B  81
GLY B  82
GLY B 160
ASN B 163
 None
 1.05A 4obwB-3hrdB:
undetectable		 4obwB-3hrdB:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kbq PROTEIN TA0487

(Thermoplasma
acidophilum) 		PF00994
(MoCF_biosynth) 		5 ASN A  19
GLY A  67
GLY A 149
MET A 154
PHE A  53
 None
 1.02A 4obwB-3kbqA:
2.6		 4obwB-3kbqA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khp MAOC FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 ALA A  67
GLY A  65
GLY A  71
ASN A  74
PHE A  73
 None
 1.07A 4obwB-3khpA:
undetectable		 4obwB-3khpA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ASN A 377
ALA A 350
GLY A 340
GLY A 339
GLY A 488
 None
None
DXP  A3264 ( 4.5A)
None
None
 1.01A 4obwB-3ll3A:
undetectable		 4obwB-3ll3A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 308
GLY B 309
ASP B 271
GLY B 240
ASN B 247
 None
 0.81A 4obwB-3m2rB:
undetectable		 4obwB-3m2rB:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		5 ALA A 611
GLY A 612
GLY A 613
ASP A 615
GLY A 609
 None
 0.82A 4obwB-3ohnA:
undetectable		 4obwB-3ohnA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 TYR A 138
ALA A 129
GLY A 132
GLY A  29
PHE A  32
 None
 0.94A 4obwB-3otrA:
undetectable		 4obwB-3otrA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 ASN A 349
ALA A 356
GLY A 355
ASP A 351
ILE A 360
 None
 0.99A 4obwB-3pdxA:
3.1		 4obwB-3pdxA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pu9 PROTEIN
SERINE/THREONINE
PHOSPHATASE

(Sphaerobacter
thermophilus) 		PF07228
(SpoIIE) 		5 ALA A  94
GLY A  44
ASP A 212
ILE A 135
GLY A 133
 None
MG  A 302 (-4.3A)
None
None
None
 0.89A 4obwB-3pu9A:
undetectable		 4obwB-3pu9A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwl CYTOCHROME P450
ALKANE HYDROXYLASE 1
CYP153A7

(Sphingopyxis
macrogoltabida) 		PF00067
(p450) 		5 GLY A  80
GLY A  81
ASP A  76
ILE A  84
GLY A  52
 None
 1.06A 4obwB-3rwlA:
undetectable		 4obwB-3rwlA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 GLY A 300
ASP A  53
ILE A 291
GLY A 287
ASN A 244
 None
None
None
None
EDO  A   3 (-3.5A)
 1.06A 4obwB-3s5nA:
undetectable		 4obwB-3s5nA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 ALA A  48
ASP A  45
ASN A  26
GLY A  50
ASN A  54
 None
ZN  A 185 (-3.1A)
IOD  A 184 (-3.7A)
None
None
 1.05A 4obwB-3s6lA:
undetectable		 4obwB-3s6lA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		5 ALA A 149
GLY A 150
GLY A  89
ASN A 147
GLY A 158
 None
 1.08A 4obwB-3tcrA:
undetectable		 4obwB-3tcrA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 295
GLY A 294
ILE A 277
ASN A 275
GLY A 279
 None
 1.03A 4obwB-3tsdA:
undetectable		 4obwB-3tsdA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 TYR A 494
ASN A 495
ILE A 424
ASN A 426
GLY A 440
 None
 0.88A 4obwB-3vsvA:
undetectable		 4obwB-3vsvA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 ALA A 114
GLY A 116
GLY A 117
ILE A 156
GLY A 158
 None
 0.90A 4obwB-3wajA:
undetectable		 4obwB-3wajA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3whi SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		6 GLY A 124
GLY A 155
ASP A 126
ILE A 121
ASN A 213
GLY A 200
 None
 1.46A 4obwB-3whiA:
2.2		 4obwB-3whiA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 ALA A 114
GLY A 115
GLY A 176
ASP A 184
GLY A 158
 None
 1.00A 4obwB-3wz2A:
undetectable		 4obwB-3wz2A:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9f CELLULOSOMAL-SCAFFOL
DING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 ALA A  58
ILE A  60
ASN A  68
ASN A  73
PHE A  96
 None
 1.04A 4obwB-4b9fA:
undetectable		 4obwB-4b9fA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 379
GLY I 382
ILE I 540
MET I 384
GLY I 545
 None
 1.07A 4obwB-4c1nI:
undetectable		 4obwB-4c1nI:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ALA A 654
GLY A 655
GLY A 656
ASP A 740
GLY A 707
 None
 0.98A 4obwB-4c4vA:
undetectable		 4obwB-4c4vA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		5 ALA A 554
GLY A 553
GLY A 595
ASN A 105
GLY A 529
 None
 1.02A 4obwB-4cvcA:
undetectable		 4obwB-4cvcA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 ALA A 536
GLY A 537
GLY A 538
ILE A 556
GLY A 534
 FMN  A1753 ( 3.3A)
FMN  A1753 (-3.4A)
FMN  A1753 (-3.5A)
None
None
 1.04A 4obwB-4cw5A:
undetectable		 4obwB-4cw5A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ALA A 146
GLY A 145
ASP A  65
ILE A 120
GLY A 122
 ANP  A1202 (-3.5A)
ANP  A1202 (-3.2A)
None
ANP  A1202 (-3.8A)
None
 0.83A 4obwB-4gfhA:
undetectable		 4obwB-4gfhA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 301
ASP A  81
ILE A 311
GLY A 314
ASN A 297
 None
 0.98A 4obwB-4hkmA:
undetectable		 4obwB-4hkmA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 GLY A 242
GLY A 243
ILE A 132
MET A 177
GLY A 134
 None
 1.05A 4obwB-4htlA:
undetectable		 4obwB-4htlA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 TYR A 339
ALA A 129
GLY A 133
GLY A 143
GLY A 312
 None
 1.02A 4obwB-4kpgA:
undetectable		 4obwB-4kpgA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 TYR A 339
ALA A 129
GLY A 133
GLY A 143
GLY A 312
 None
 1.03A 4obwB-4m1zA:
undetectable		 4obwB-4m1zA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 ASN A 487
ALA A 203
GLY A 479
ILE A 201
GLY A 205
 None
 1.06A 4obwB-4m8jA:
undetectable		 4obwB-4m8jA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 ASN A 338
ALA A 191
GLY A 192
GLY A 193
ILE A   5
 None
 0.92A 4obwB-4mcaA:
2.0		 4obwB-4mcaA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 ALA A 654
GLY A 655
GLY A 656
ASP A 740
GLY A 707
 None
 0.99A 4obwB-4n75A:
undetectable		 4obwB-4n75A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  37
GLY A  33
ASP A  53
ILE A  39
GLY A  41
 None
None
NAD  A 401 (-2.7A)
None
None
 0.99A 4obwB-4nd4A:
3.7		 4obwB-4nd4A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ALA A1966
GLY A1967
GLY A1968
ASP A1606
ASN A1971
 None
 0.96A 4obwB-4o9xA:
undetectable		 4obwB-4o9xA:
7.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		9 ALA A 119
GLY A 120
GLY A 121
ASP A 124
ILE A 149
ASN A 150
GLY A 180
ASN A 202
PHE A 203
 SAM  A 602 (-3.2A)
SAM  A 602 (-3.4A)
None
None
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
SAM  A 602 (-3.9A)
 0.75A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		9 ALA A 119
GLY A 120
GLY A 121
ILE A 149
ASN A 150
MET A 153
GLY A 180
ASN A 202
PHE A 203
 SAM  A 602 (-3.2A)
SAM  A 602 (-3.4A)
None
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 (-3.7A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
SAM  A 602 (-3.9A)
 0.85A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		8 TYR A  78
ASN A  82
ALA A 119
GLY A 120
ASP A 124
ILE A 149
ASN A 150
ASN A 202
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
SAM  A 602 (-3.2A)
SAM  A 602 (-3.4A)
None
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 ( 4.9A)
 1.09A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		10 TYR A  78
ASN A  82
ALA A 119
GLY A 120
ASP A 124
ILE A 149
ASN A 150
GLY A 180
ASN A 202
PHE A 203
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
SAM  A 602 (-3.2A)
SAM  A 602 (-3.4A)
None
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
SAM  A 602 (-3.9A)
 0.59A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		10 TYR A  78
ASN A  82
ALA A 119
GLY A 120
ILE A 149
ASN A 150
MET A 153
GLY A 180
ASN A 202
PHE A 203
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
SAM  A 602 (-3.2A)
SAM  A 602 (-3.4A)
SAM  A 602 (-3.8A)
SAM  A 602 (-4.9A)
SAM  A 602 (-3.7A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
SAM  A 602 (-3.9A)
 0.69A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		7 TYR A  78
ASN A  82
GLY A 121
ASP A 124
ILE A 149
GLY A 180
ASN A 202
 SAM  A 602 (-3.9A)
SAM  A 602 ( 4.2A)
None
None
SAM  A 602 (-3.8A)
SAM  A 602 (-3.5A)
SAM  A 602 ( 4.9A)
 1.06A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASN A 260
GLY A 209
GLY A 210
ASP A 238
GLY A  98
 None
 1.05A 4obwB-4oraA:
undetectable		 4obwB-4oraA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 179
GLY A 180
GLY A 339
GLY A 199
PHE A 218
 8ID  A 403 (-4.2A)
8ID  A 403 (-3.0A)
None
None
None
 1.00A 4obwB-4w6zA:
5.1		 4obwB-4w6zA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 190
GLY A 191
GLY A 192
ILE A  63
ASN A 144
 None
 1.06A 4obwB-4ynnA:
undetectable		 4obwB-4ynnA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgs PUTATIVE D-LACTATE
DEHYDROGENASE

(Chlamydomonas
reinhardtii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 288
GLY A 287
GLY A 260
GLY A 290
ASN A 151
 None
 1.02A 4obwB-4zgsA:
6.0		 4obwB-4zgsA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 188
GLY A  18
GLY A  19
ASN A 159
GLY A 186
 None
None
None
NAG  A 401 (-1.8A)
None
 0.99A 4obwB-5a8zA:
undetectable		 4obwB-5a8zA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5af7 ACYL-COA
DEHYDROGENASE

(Advenella
mimigardefordensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 TYR A 243
ASN A 244
ALA A  96
GLY A  95
GLY A  92
GLY A 101
 None
 1.33A 4obwB-5af7A:
undetectable		 4obwB-5af7A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ALA A  81
GLY A  82
ILE A  77
ASN A  76
GLY A 213
 None
 0.91A 4obwB-5b04A:
4.5		 4obwB-5b04A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 107
GLY A 106
ASP A 246
ILE A 193
GLY A 191
 None
SAH  A 301 (-3.2A)
None
None
None
 0.95A 4obwB-5b7nA:
undetectable		 4obwB-5b7nA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		5 ASN A 269
GLY A 218
GLY A 219
ASP A 247
GLY A 107
 None
 1.06A 4obwB-5b8iA:
undetectable		 4obwB-5b8iA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		5 ASN A 413
GLY A  73
GLY A  74
ILE A 127
GLY A 123
 None
 1.01A 4obwB-5c65A:
undetectable		 4obwB-5c65A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 ASN A 373
ALA A 333
GLY A 338
GLY A 337
ASN A 170
 None
 1.03A 4obwB-5dl6A:
undetectable		 4obwB-5dl6A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 ALA A 229
GLY A 228
GLY A 227
ASP A  94
GLY A 249
 ATP  A 801 (-4.1A)
ATP  A 801 (-4.1A)
ATP  A 801 (-3.8A)
None
None
 1.00A 4obwB-5e84A:
undetectable		 4obwB-5e84A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		5 TYR A 109
ASN A 110
ALA A 102
GLY A 103
GLY A 104
 None
 1.02A 4obwB-5enzA:
undetectable		 4obwB-5enzA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		5 ASN A 432
GLY A 248
GLY A 252
ILE A 281
GLY A 279
 None
LLP  A 311 ( 4.7A)
None
None
None
 0.99A 4obwB-5eueA:
2.8		 4obwB-5eueA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 ALA A 399
GLY A 397
ASP A 393
ILE A 403
GLY A 437
 None
 1.04A 4obwB-5f0oA:
undetectable		 4obwB-5f0oA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		5 ALA A 336
GLY A 295
ASP A 330
ILE A 338
GLY A 364
 None
 1.00A 4obwB-5gkqA:
undetectable		 4obwB-5gkqA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqj PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Paraburkholderia
graminis) 		PF13407
(Peripla_BP_4) 		5 ALA A 172
GLY A 173
GLY A 138
ASN A 134
ASN A 168
 None
 1.07A 4obwB-5hqjA:
undetectable		 4obwB-5hqjA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 130
GLY A 129
ASP A 168
ILE A  62
ASN A 102
 None
None
NAP  A 501 (-2.6A)
None
None
 0.80A 4obwB-5ijzA:
4.0		 4obwB-5ijzA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ALA A 270
GLY A 268
ILE A 184
GLY A 272
PHE A 327
 None
 0.92A 4obwB-5it0A:
undetectable		 4obwB-5it0A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A  67
GLY A  68
GLY A  69
ASN A  71
GLY A 132
 FAD  A 401 (-3.3A)
FAD  A 401 (-3.2A)
FAD  A 401 (-3.5A)
FAD  A 401 ( 3.6A)
FAD  A 401 ( 4.0A)
 1.03A 4obwB-5jzxA:
undetectable		 4obwB-5jzxA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m2o PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN
GROUP I DOCKERIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		5 TYR B  85
GLY B  29
ASP B  78
ILE B  36
GLY A 126
 None
None
CA  B 202 (-2.3A)
None
None
 0.95A 4obwB-5m2oB:
undetectable		 4obwB-5m2oB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 ASN A 160
ALA A 191
GLY A 192
GLY A 193
ILE A 289
 None
 1.03A 4obwB-5mifA:
undetectable		 4obwB-5mifA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 ASN A 292
GLY A 298
GLY A 299
ASN A 171
GLY A 109
 None
None
None
SIN  A 501 (-3.4A)
None
 1.01A 4obwB-5mz8A:
3.5		 4obwB-5mz8A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  97
ASP A  99
GLY A 581
ASN A 534
PHE A 555
 None
 1.07A 4obwB-5necA:
undetectable		 4obwB-5necA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nem INTEGRIN BETA-6

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 ASN B 269
ALA B 225
GLY B 222
GLY B 221
GLY B 155
 None
 1.02A 4obwB-5nemB:
undetectable		 4obwB-5nemB:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 5 GLY A 357
GLY A 381
ILE A 333
GLY A 300
ASN A 325
 None
 1.07A 4obwB-5nxkA:
undetectable		 4obwB-5nxkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 ASN A 324
GLY A  83
GLY A  84
GLY A  52
ASN A  47
 None
CO2  A 401 (-4.5A)
None
CO2  A 402 ( 4.2A)
None
 0.98A 4obwB-5t13A:
undetectable		 4obwB-5t13A:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		5 ALA A 295
GLY A 294
ILE A 277
ASN A 275
GLY A 279
 None
 0.98A 4obwB-5uuwA:
undetectable		 4obwB-5uuwA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 5 ALA A  77
GLY A  76
GLY A  55
ASN A  32
PHE A  33
 None
 1.06A 4obwB-5uytA:
undetectable		 4obwB-5uytA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		5 ALA A 732
GLY A  56
ASP A  54
GLY A 729
ASN A 767
 None
A  B  65 ( 3.4A)
None
U  B  11 ( 4.3A)
None
 1.08A 4obwB-5xblA:
undetectable		 4obwB-5xblA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 ASN A 338
ALA A 191
GLY A 192
GLY A 193
ILE A   5
 None
 0.93A 4obwB-5xn8A:
undetectable		 4obwB-5xn8A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 6 TYR A  60
GLY A 433
GLY A 431
ILE A 309
ASN A 428
ASN A 635
 None
 1.29A 4obwB-5y9dA:
undetectable		 4obwB-5y9dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yal ESTERASE

(Streptomyces
cinnamoneus) 		no annotation 5 ALA A 188
GLY A 189
GLY A 194
GLY A 186
PHE A 316
 None
 0.90A 4obwB-5yalA:
undetectable		 4obwB-5yalA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 6 ASN A  99
GLY A  12
GLY A  38
ILE A 314
GLY A 317
ASN A  20
 None
FAD  A 501 (-3.3A)
None
None
None
CL  A 504 (-4.2A)
 1.27A 4obwB-6b4oA:
undetectable		 4obwB-6b4oA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 ASN A 205
ALA A 260
GLY A 181
ASP A 257
ILE A 184
 None
 1.04A 4obwB-6b5iA:
3.8		 4obwB-6b5iA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 5 ALA A 110
ASP A 120
ILE A 131
ASN A 129
GLY A 133
 None
 1.00A 4obwB-6bacA:
undetectable		 4obwB-6bacA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 ALA A 229
GLY A 228
GLY A 227
ASP A  94
GLY A 249
 SO4  A 602 (-3.5A)
SO4  A 602 (-3.4A)
ADP  A 603 ( 2.9A)
None
None
 1.01A 4obwB-6eoeA:
undetectable		 4obwB-6eoeA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ey0 T9SS COMPONENT
CYTOPLASMIC MEMBRANE
PROTEIN PORM
LLAMA NANOBODY NB01

(Porphyromonas
gingivalis;
Lama glama) 		no annotation
no annotation 		5 GLY E  98
ASP A  96
ILE E  51
ASN E  55
GLY E  35
 None
 0.91A 4obwB-6ey0E:
undetectable		 4obwB-6ey0E:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f45 -

(-) 		no annotation 5 GLY D 170
GLY D 208
ASP D 187
ASN D 213
GLY D 130
 None
 1.05A 4obwB-6f45D:
undetectable		 4obwB-6f45D:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfc PROTEIN
(SYNAPTOBREVIN 2)
PROTEIN (SYNTAXIN
1A)

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF00804
(Syntaxin)
PF05739
(SNARE) 		4 LYS B 204
ASP A  44
ASN A  49
SER B 208
 None
 1.48A 4obwB-1sfcB:
undetectable		 4obwB-1sfcB:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2my7 CUGBP ELAV-LIKE
FAMILY MEMBER 2

(Homo sapiens) 		PF00076
(RRM_1) 		4 LYS A 484
ASP A 439
ASN A 443
SER A 487
 None
 1.46A 4obwB-2my7A:
undetectable		 4obwB-2my7A:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		4 LYS A  94
ASP A 148
ASN A 179
SER A 197
 SAM  A 602 (-3.3A)
SAM  A 602 (-2.9A)
SAM  A 602 (-3.7A)
SAM  A 602 (-2.9A)
 0.27A 4obwB-4obwA:
39.2		 4obwB-4obwA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 7

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF12157
(DUF3591)
PF04658
(TAFII55_N) 		4 LYS A 507
ASP B 137
ASN B 131
SER B 142
 None
 1.11A 4obwB-4oy2A:
0.0		 4obwB-4oy2A:
20.19